1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol

C16H27NO2 — CID 64814421

IUPAC1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-12(10-16(5,18)11-17)19-14-8-6-13(7-9-14)15(2,3)4/h6-9,12,18H,10-11,17H2,1-5H3
InChIKeyLENPEPHJJLYUDZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.85
Rot. Bonds5

About 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol

1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol (PubChem CID 64814421) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol
PubChem CID64814421
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-12(10-16(5,18)11-17)19-14-8-6-13(7-9-14)15(2,3)4/h6-9,12,18H,10-11,17H2,1-5H3
InChIKeyLENPEPHJJLYUDZ-UHFFFAOYSA-N
XLogP2.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-methyl-4-phenoxypentan-2-ol
CID 64814843
1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol
CID 64815245
1-amino-4-(3,5-dimethylphenoxy)-2-methylpentan-2-ol
CID 64813378
1-amino-2-methyl-4-(2-phenylphenoxy)pentan-2-ol
CID 64813156
1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
CID 64814849
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
2-amino-2-methyl-4-[4-(2-methylbutan-2-yl)phenoxy]pentan-1-ol
CID 64802073
1-tert-butyl-4-(3-methylbutan-2-yloxy)benzene
CID 142044408
2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
CID 64802307
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol (CID 64814421) is 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol is CC(CC(C)(O)CN)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol?
The InChIKey is LENPEPHJJLYUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(10-16(5,18)11-17)19-14-8-6-13(7-9-14)15(2,3)4/h6-9,12,18H,10-11,17H2,1-5H3.
What are the key properties of 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol?
1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-tert-butylphenoxy)-2-methylpentan-2-ol is sourced from PubChem (CID 64814421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).